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Hi Cartsen,<br>
<br>
yes, I need more information to debug it... I know sending the data may
be problematic for you, but if you could fake it (but make sure the
program still crash) that would be great. For example, leave just a
couple of atoms in your PDB file and distort somehow the reflection
data file... <br>
<br>
Meanwhile I will try to reproduce it myself.<br>
<br>
Pavel.<br>
<br>
<br>
On 7/21/09 7:54 AM, Schubert, Carsten [PRDUS] wrote:
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<title>Assertion Error when using kicked maps in solvent update</title>
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<p dir="ltr"><span lang="en-us"><font face="Calibri">Hi</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">In 1.4.106 I get
the following Assertion Error when I use kicked maps</font></span><span
lang="en-us"><font face="Calibri"> (refinement.</font></span><span
lang="en-us"><font face="Calibri">ordered_solvent.use_kick_maps=True)</font></span><span
lang="en-us"><font face="Calibri"> in the solvent update</font></span><span
lang="en-us"><font face="Calibri"> section</font></span><span
lang="en-us"><font face="Calibri">:</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">Traceback (most
recent call last):</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> File
"/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/command_line/refine.py",
line 19, in <module></font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">
command_line.run(command_name="phenix.refine", args=sys.argv[1:])</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> File
"/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/refinement/command_line.py",
line 89, in run</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">
call_back_handler=call_back_handler)</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> File
"/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/refinement/driver.py",
line 1125, in run</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">
call_back_handler = call_back_handler)</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> File
"/raidnet/xdata1/programs/phenix-1.4-106/phenix/phenix/refinement/strategies.py",
line 358, in refinement_machine</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">
log = log)</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> File
"/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/mmtbx/solvent/ordered_solvent.py",
line 205, in __init__</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> use_kick_map
= self.params.use_kick_maps).peaks_mapped()</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> File
"/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/mmtbx/solvent/ordered_solvent.py",
line 394, in find_peaks</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">
log = self.log)</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> File
"/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/mmtbx/find_peaks.py",
line 98, in __init__</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">
crystal_gridding_tags = fft_map.tags()</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> File
"/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/cctbx/maptbx/__init__.py",
line 152, in tags</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> return
crystal_gridding_tags(self)</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> File
"/raidnet/xdata1/programs/phenix-1.4-106/cctbx_project/cctbx/maptbx/__init__.py",
line 158, in __init__</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri"> assert
gridding.symmetry_flags() is not None</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">AssertionError</font></span><span
lang="en-us"></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">Running from the
same .def file w/o kicked maps works fine.</font></span><span
lang="en-us"> <font face="Calibri">Let me know if you need more info
to</font></span><span lang="en-us"><font face="Calibri"> debug this.</font></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">Cheers</font></span><span
lang="en-us"><font face="Calibri">,</font></span><span lang="en-us"></span></p>
<p dir="ltr"><span lang="en-us"><font face="Calibri">Carsten</font></span><span
lang="en-us"></span></p>
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